4-(2-methylpropyl)-1-(2-propoxyethyl)triazole

C11H21N3O — CID 118041077

IUPAC4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
SMILESCCCOCCn1cc(CC(C)C)nn1
InChIInChI=1S/C11H21N3O/c1-4-6-15-7-5-14-9-11(12-13-14)8-10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyRDPWUUZYZRFCTB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.90
Rot. Bonds7

About 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole

4-(2-methylpropyl)-1-(2-propoxyethyl)triazole (PubChem CID 118041077) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
PubChem CID118041077
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
SMILESCCCOCCn1cc(CC(C)C)nn1
InChIInChI=1S/C11H21N3O/c1-4-6-15-7-5-14-9-11(12-13-14)8-10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyRDPWUUZYZRFCTB-UHFFFAOYSA-N
XLogP1.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropyl)-1-propyltriazole
CID 89029688
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
CID 118041103
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
1-[3-(3,3-dimethylbutoxy)propyl]-4-(2-methylpropyl)triazole
CID 177117041
4-methyl-1-[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]pentan-3-one
CID 167447960
4-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]triazole
CID 62400452
1-[2-(3-methylbutoxy)ethoxymethyl]-4-(2-methylpropyl)triazole
CID 176586840
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
ethane;4-methyl-1-(2-propoxyethyl)triazole
CID 156729462
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
CID 157240697

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole?
The IUPAC name of 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole (CID 118041077) is 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole.
What is the SMILES notation for 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole?
The canonical SMILES for 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole is CCCOCCn1cc(CC(C)C)nn1.
What is the InChIKey of 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole?
The InChIKey is RDPWUUZYZRFCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-15-7-5-14-9-11(12-13-14)8-10(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole?
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole has a molecular weight of 211.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(2-propoxyethyl)triazole is sourced from PubChem (CID 118041077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).